SCHEMBL7315163

SCHEMBL7315163

CCOC(=O)CC(C(=O)OCC)N1CCN(CC2CN(CCCN3CCN(CC)CC3)C(=O)O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HTR2B P41595 6/20 0.36
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DRD3 P35462 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7309903 0.94 ITGB3 (0.38) ITGB3ITGA2BHTR2BCYP2D6L3MBTL1
SCHEMBL7313170 0.93 ITGB3 (0.38) ITGB3ITGA2BHTR2BCYP2D6L3MBTL1
SCHEMBL8858104 0.93 ITGB3 (0.34) ITGB3ITGA2BHTR2BCYP2D6L3MBTL1
SCHEMBL7303634 0.90 ITGB3 (0.39) ITGB3ITGA2BHTR2BCYP2D6L3MBTL1
SCHEMBL7313564 0.89 ITGB3 (0.39) ITGB3ITGA2BHTR2BCYP2D6L3MBTL1
SCHEMBL7307507 0.88 HTR2B (0.41) ITGB3ITGA2BHTR2BL3MBTL1MAPK1
SCHEMBL7308256 0.87 ITGB3 (0.38) ITGB3ITGA2BHTR2BCYP2D6L3MBTL1
SCHEMBL8858159 0.87 ITGB3 (0.34) ITGB3ITGA2BHTR2BCYP2D6L3MBTL1
SCHEMBL7315394 0.86 HTR2B (0.41) ITGB3ITGA2BHTR2BL3MBTL1MAPK1
SCHEMBL8858110 0.86 ITGB3 (0.34) ITGB3ITGA2BHTR2BL3MBTL1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed